U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiPF6 by Materials Project
Abstract
LiPF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent PF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All Li–F bond lengths are 2.08 Å. P5+ is bonded to six equivalent F1- atoms to form PF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All P–F bond lengths are 1.64 Å. F1- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-9143
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-Li-P; LiPF6; crystal structure
- OSTI Identifier:
- 1313000
- DOI:
- https://doi.org/10.17188/1313000
Citation Formats
Materials Data on LiPF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313000.
Materials Data on LiPF6 by Materials Project. United States. doi:https://doi.org/10.17188/1313000
2020.
"Materials Data on LiPF6 by Materials Project". United States. doi:https://doi.org/10.17188/1313000. https://www.osti.gov/servlets/purl/1313000. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1313000,
title = {Materials Data on LiPF6 by Materials Project},
abstractNote = {LiPF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent PF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All Li–F bond lengths are 2.08 Å. P5+ is bonded to six equivalent F1- atoms to form PF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 28°. All P–F bond lengths are 1.64 Å. F1- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom.},
doi = {10.17188/1313000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 04:00:00 UTC 2020},
month = {Thu Jul 16 04:00:00 UTC 2020}
}
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